SCHEMBL13599684

SCHEMBL13599684

COC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.57
▸ KLK7 P49862 2/20 0.57
▸ KLK5 Q9Y337 2/20 0.57
▸ SIRT2 Q8IXJ6 7/20 0.55
▸ SIRT1 Q96EB6 6/20 0.55
▸ SIRT3 Q9NTG7 4/20 0.55
▸ SIRT5 Q9NXA8 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13599678 0.95 L3MBTL1 (0.59) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL29813489 0.93 MAPT (0.56) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL30064541 0.92 MAPT (0.62) MAPTKLK7KLK5L3MBTL1
SCHEMBL14509568 0.92 KLK7 (0.55) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL32681202 0.92 KLK7 (0.55) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL30043940 0.91 SIRT2 (0.64) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL13430768 0.91 SIRT2 (0.64) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL22043592 0.91 SIRT2 (0.56) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL10045811 0.90 KLK7 (0.55) MAPTKLK7KLK5SIRT2SIRT1
SCHEMBL19971942 0.90 SIRT2 (0.53) MAPTKLK7KLK5SIRT2SIRT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311203-A1 GEM-DIFLUORIDE C-GLYCOPEPTIDE COMPOUNDS, THEIR PREPARATION AND USE PARTICULARLY FOR PRESERVATION OF BIOLOGICAL MATERIALS INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (INSA) (FR) 2009-12-17 — — US disclosed
US-20090311203-A1 GEM-DIFLUORIDE C-GLYCOPEPTIDE COMPOUNDS, THEIR PREPARATION AND USE PARTICULARLY FOR PRESERVATION OF BIOLOGICAL MATERIALS INSTITUT NATIONAL DES SCIENCES APPLIQUEES DE ROUEN (INSA) (FR) 2009-12-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090311203-A1 GEM-DIFLUORIDE C-GLYCOPEPTIDE COMPOUNDS, THEIR PREPARATION AND USE PARTICULARLY FOR PRESERVATION OF BIOLOGICAL MATERIALS B3GAT3, GMFG, GYPA MAPT 3774/4885KLK7 4383/4885KLK5 4621/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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